Information card for entry 4124826

Structure parameters

• Formula: C111 H72 N6 O12 Zn3
• Calculated formula: C111 H72 N6 O12 Zn3
• Title of publication: Effective Detection of Mycotoxins by a Highly Luminescent Metal-Organic Framework.
• Authors of publication: Hu, Zhichao; Lustig, William P.; Zhang, Jingming; Zheng, Chong; Wang, Hao; Teat, Simon J.; Gong, Qihan; Rudd, Nathan D.; Li, Jing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 51
• Pages of publication: 16209 - 16215
• a: 44.091 ± 0.002 Å
• b: 25.406 ± 0.0014 Å
• c: 17.1248 ± 0.0009 Å
• α: 90°
• β: 91.176 ± 0.004°
• γ: 90°
• Cell volume: 19178.7 ± 1.7 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No